2-(diphenylmethyl)oxy-5-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-(diphenylmethyl)oxy-5-[[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-benzhydryloxy-5-[[4-(2-ethoxy-2-oxo-ethyl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-(diphenylmethyl)oxy-5-[[[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-benzhydryloxy-5-[[4-(2-ethoxy-2-oxoethyl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-benzhydryloxy-5-[[4-(2-ethoxy-2-keto-ethyl)piperazine-1-carbonyl]amino]benzoic acid Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)NC2=CC(=C(C=C2)OC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H31N3O6/c1-2-37-26(33)20-31-15-17-32(18-16-31)29(36)30-23-13-14-25(24(19-23)28(34)35)38-27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,27H,2,15-18,20H2,1H3,(H,30,36)(H,34,35)